Chemical Properties of Succinic acid, decyl 2-(3-nitrophenyl)ethyl ester

InChI

InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-16-28-21(24)13-14-22(25)29-17-15-19-11-10-12-20(18-19)23(26)27/h10-12,18H,2-9,13-17H2,1H3

InChI Key

BNPPVKVCKIYJDJ-UHFFFAOYSA-N

Formula

C22H33NO6

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

407.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1832		Relay (1.0) Calculated Property
ΔfG°	-195.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.32	kJ/mol	Joback Calculated Property
ΔvapH°	127.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	5.145		Crippen Calculated Property
McVol	329.380	ml/mol	McGowan Calculated Property
Pc	1180.90	kPa	Joback Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	679.23	K	Relay (1.0) Calculated Property
Tc	910.14	K	Relay (1.0) Calculated Property
Tfus	303.62	K	Relay (1.0) Calculated Property
Vc	1.216	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1108.40; 1164.06]	J/mol×K	[1038.84; 1271.93]
Cp,gas	1108.40	J/mol×K	1038.84	Joback Calculated Property
Cp,gas	1121.22	J/mol×K	1077.69	Joback Calculated Property
Cp,gas	1132.57	J/mol×K	1116.54	Joback Calculated Property
Cp,gas	1142.47	J/mol×K	1155.39	Joback Calculated Property
Cp,gas	1150.99	J/mol×K	1194.23	Joback Calculated Property
Cp,gas	1158.17	J/mol×K	1233.08	Joback Calculated Property
Cp,gas	1164.06	J/mol×K	1271.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, decyl 2-(3-nitrophenyl)ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.